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3. Borophosphene as a promising Dirac anode with large capacity and high-rate capability for sodium-ion batteries

Author

Zhang, Yang, Zhang, Er-Hu, Xia, Ming-Gang, and Zhang, Sheng-Li

Subjects
Condensed Matter - Materials Science
Abstract

Sodium-ion batteries (SIBs) have attracted a great deal of attention as potential low-cost energy storage alternatives to Lithium-ion batteries (LIBs) due to the intrinsic safety and great abundance of sodium on Earth. For developing competitive SIBs, highly efficient anode materials with large capacity and rapid ion diffusion are indispensable. In this study, a two-dimensional (2D) Dirac monolayer, that is borophosphene, is proposed to be a promising anode material for high performance SIBs on the basis of density functional theory calculations. The performances of Na adsorption and diffusion, maximum specific capacity, open circuit voltage, cyclical stability and electronic properties combined with Bader charge analysis are explored. It is found that the borophosphene can spontaneously adsorb Na atom with binding energy of -0.838 eV. A low diffusion energy barrier of 0.221 eV suggests rapid ion conductivity. More intriguingly, a maximum specific capacity of 1282 mAh/g can be achieved in borophosphene, which is one of the largest values reported in 2D anode materials for SIBs. A low average voltage of 0.367 V is estimated, implying a suitable voltage of the anode material. Metallic properties, tiny surface expansion, and good kinetic stability of sodiated borophosphene give rise to high electrical conductivity and favorable cyclability. These advantages above suggest the borophosphene can be used as a Dirac anode material for SIBs with excellent performances of large specific capacity, high-rate capability, and favorable cyclability.

Published
2020
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4. Borophosphene: a New Anisotropic Dirac Cone Monolayer with High Fermi Velocity and Unique Feature of Self-doping

Author

Zhang, Yang, Kang, Jun, Zheng, Fan, Gao, Peng-Fei, Zhang, Sheng-Li, and Wang, Lin-Wang

Subjects
Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics
Abstract

Two-dimensional (2D) Dirac cone materials exhibit linear energy dispersion at the Fermi level, where the effective masses of carriers are very close to zero and the Fermi velocity is ultrahigh, only 2 ~ 3 orders of magnitude lower than the light velocity. Such the Dirac cone materials have great promise in high-performance electronic devices. Herein, we have employed the genetic algorithms methods combining with first-principles calculations to propose a new 2D anisotropic Dirac cone material, that is, orthorhombic boron phosphide (BP) monolayer named as borophosphene. Molecular dynamics simulation and phonon dispersion have been used to evaluate the dynamic and thermal stability of borophosphene. Because of the unique arrangements of B-B and P-P dimers, the mechanical and electronic properties are highly anisotropic. Of great interest is that the Dirac cone of the borophosphene is robust, independent of in-plane biaxial and uniaxial strains, and can also be observed in its one-dimensional (1D) zigzag nanoribbons and armchair nanotubes. The Fermi velocities are ~ 105 m/s, the same order of magnitude with that of graphene. By using a tight-binding model, the origin of the Dirac cone of borophosphene is analyzed. Moreover, a unique feature of self-doping can be induced by the in-plane biaxial and uniaxial strains of borophosphene and the Curvature effect of nanotubes, which is great beneficial to realizing high speed carriers (holes). Our results suggest that the borophosphene holds a great promise in high-performance electronic devices, which could promote the experimental and theoretical studies to further explore the potential applications of other 2D Dirac cone sheets.

Published
2019
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9. Enhanced visible light absorption in ZnO/GaN heterostructured nanofilms

Author

Zhang, Yang, Wu, Zhi-Feng, Gao, Peng-Fei, Fang, Dang-Qi, and Zhang, Sheng-Li

Subjects
Condensed Matter - Materials Science
Abstract

ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study, first-principles calculations were employed to investigate structural stabilities and electronic properties of (1-100) and (11-20) ZnO/GaN heterostructured nanofilms. The effects of nanofilm thickness and GaN ratio were explored. It was found that all studied heterostructured nanofilms were less stable than the corresponding pure ZnO film but more stable than pure GaN one, exhibiting a much thicker film with better stability. Electronic band structures displayed that both two types of (1-100) and (11-20) heterostructured nanofilms were semiconductors with band gaps strongly depending on the GaN ratios as well as the thicknesses. Of particular interesting is that the band gaps decreased firstly, and then increased with the increasing GaN ratio. Furthermore, electronic contribution to the valence band maximum and the conduction band minimum, and optical absorption were discussed. Our results of ZnO/GaN heterostructured nanofilms with spatial separation of electrons and holes, and flexibly tunable band gaps hold great promise for applications in visible-photovoltaic field.

Published
2016
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11. New localization mechanism and Hodge duality for $q-$form field

Author

Fu, Chun-E, Liu, Yu-Xiao, Guo, Heng, and Zhang, Sheng-Li

Subjects
High Energy Physics - Theory
Abstract

In this paper, we investigate the problem of localization and the Hodge duality for a $q-$form field on a $p-$brane with codimension one. By a general Kaluza-Klein (KK) decomposition without gauge fixing, we obtain two Schr\"{o}dinger-like equations for two types of KK modes of the bulk $q-$form field, which determine the localization and mass spectra of these KK modes. It is found that there are two types of zero modes (the $0-$level modes): a $q-$form zero mode and a $(q-1)-$form one, which cannot be localized on the brane at the same time. For the $n-$level KK modes, there are two interacting KK modes, a massive $q-$form KK mode and a massless $(q-1)-$form one. By analyzing gauge invariance of the effective action and choosing a gauge condition, the $n-$level massive $q-$form KK mode decouples from the $n-$level massless $(q-1)-$form one. It is also found that the Hodge duality in the bulk naturally becomes two dualities on the brane. The first one is the Hodge duality between a $q-$form zero mode and a $(p-q-1)-$form one, or between a $(q-1)-$form zero mode and a $(p-q)-$form one. The second duality is between two group KK modes: one is an $n-$level massive $q-$form KK mode with mass $m_n$ and an $n-$level massless $(q-1)-$form mode; another is an $n-$level $(p-q)-$form one with the same mass $m_n$ and an $n-$level massless $(p-q-1)-$form mode. Because of the dualities, the effective field theories on the brane for the KK modes of the two dual bulk form fields are physically equivalent., Comment: 19 pages, accepted by Phys. Rev. D

Published
2015
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15. Localization of $q-$form fields on $AdS_{p+1}$ branes

Author

Fu, Chun-E, Liu, Yu-Xiao, Guo, Heng, Chen, Feng-Wei, and Zhang, Sheng-Li

Subjects
High Energy Physics - Theory
Abstract

In this paper, we investigate localization of a free massless $q-$form bulk field on thin and thick $AdS_{p+1}$ branes with codimension one. It is found that the zero mode of the $q-$form field with $q>(p+2)/2$ can be localized on the thin negative tension brane, which is different from the flat brane case given in [JHEP 10 (2012) 060]. For the thick $AdS_{p+1}$ branes, the $q-$form field with $q>(p+2)/2$ also has a localized zero mode under some conditions. Furthermore, we find that there are massive bound KK modes of the $q-$form field, which are localized on this type $p-$branes., Comment: 13 pages

Published
2013
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19. Half-metallic ferromagnetism in transition-metal doped germanium nitride: A first-principles study

Author

Zhang, Sheng-Li, Wang, Wei, and Zhang, Er-Hu

Subjects
Condensed Matter - Materials Science
Abstract

The electronic and magnetic properties of transition-metal doped $\beta$-Ge3N4 have been studied using first-principles calculations. The results show that the substitutional transition-metal impurities tend to cluster. The V and Cr doped Ge3N4 compounds are ferromagnetic semiconductors, while the compounds with Mn and Fe doping show a half-metallic ferromagnetic character., Comment: 19 pages, 4 figures

Published
2010
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24. Metarhizium macrosemiae M. J. Chen & B. Huang 2022, sp. nov

Author

Chen, Ming-Jun, Lin, Yan, Wang, Ting, Zhang, Sheng-Li, and Huang, Bo

Subjects
Clavicipitaceae, Metarhizium, Ascomycota, Sordariomycetes, Hypocreales, Fungi, Biodiversity, Metarhizium macrosemiae, Taxonomy
Abstract

Metarhizium macrosemiae M.J. Chen & B. Huang, sp. nov. Fig. 2. MycoBank MB 845475 Etymology:— The epithet refers to its original host, an adult of cicada (Macrosemia). Typification:— CHINA. Anhui Province: Guniujiang Nature Preserve, 29º59ˊ– 30º6ˊN, 117º15′– 117º34ˊE, on adult of Macrosemia (Hemiptera: Cicadidae) attached to upper side of dicot. leaf in forest, 12 Aug 2020, Y. Lin, T. Wang & M.J. Chen (holotype no. GNJ20200812 -01; ex-type culture no. RCEF 6696, isolated from conidia. Preserved in Research Center for Entomogenous Fungi (RCEF)). GenBank (RCEF6696): ITS = MW718317, SSU = MW718233; LSU = MW718259; TEF = MW723113; RPB1 = 723144; RPB2 = 723164. Known distribution:— Guniujiang Nature Preserve, Anhui, China. Description:— Specimens found on adult cicada (Hemiptera: Cicadidae). The head and internodal membrane of the host insect were covered with white to pale or light green mycelium and powdery cream to green sporulating conidiophores. Synnemata absent. Conidiophores mononematous. Conidia smooth-walled, dimorphic, in chains and adhering laterally to form columns; microconidia ovoid, ellipsoidal, 4.3–5.2 × 2.4–3.0 μm; macroconidia cylindrical, 12.0–16.0 × 3.4– 4.0 μm (Fig. 2 A, B). Culture characteristics:— Colonies on SDAY/4 reaching 59–62 mm in diam. after 14 d at 25 °C, plane, velutinous to flocculent, farinose when sporulating; light green. Sporulation starts at 7 d after inoculation, reverse pale brown, causing a brown concentric ring outside of the inoculum. Mycelium white, composed of branched, septate, smoothwalled, hyaline hyphae, 2.7–3.3 μm wide. Conidiophores arising from hyphae, smooth-walled. Phialides solitary or in a group of two to three borne directly on metulae, smooth-walled, cylindrical, 5.0–6.5(–8) × 2.4–3.0 μm. Conidia smooth-walled, dimorphic; microconidia formed first, ovoid, ellipsoidal, 3.7–5.0 × 2.1–3.2 μm; macroconidia formed later, cylindrical, (6–)9.5–14.0(–16) × 2.7–3.3 μm. Colonies on PDA attaining a diam. of 57–60 mm in 14 d, floccose, cream to dark green with age. Sporulation starts at 7 d after inoculation, reverse slightly greenish in outmost. Mycelium white, composed of branched, septate, smoothwalled, hyaline hyphae, 2.4–3.4 μm wide. Conidiophores arising from hyphae, smooth-walled. Phialides solitary or in a group of two to three borne directly on metulae, smooth-walled, cylindrical, 5.0–6.0 × 2.4–3.1 μm. Conidia smoothwalled, dimorphic; microconidia formed first, ovoid, ellipsoidal, 4.1–5.0 × 2.4–2.7 μm; macroconidia formed later, cylindrical, (10–)12.5–18.5 × 2.5–3.5(–4) μm. Colonies on OA attaining a diam. of 73–76 mm in 14 d, mycelium floccose, cottony, cream to green, powdery while sporulating. Sporulation starts at 7 d after inoculation. Mycelium white, composed of branched, septate, smoothwalled, hyaline hyphae, 2.2–3.0 μm wide. Conidiophores arising from hyphae, smooth-walled. Phialides solitary or in a group of two to three borne directly on metulae, smooth-walled, cylindrical, 5.0–6.0 × 2.4–3.0 μm. Conidia smoothwalled, dimorphic; microconidia formed first, ovoid, ellipsoidal, 3.8–5.0 ×2.2–3.0 μm; macroconidia formed later, cylindrical, (11–)13.0–17.0 × 2.5–3.0 μm. Additional specimen examined:— CHINA. Anhui Province: Shitai county, Guniujiang Nature Preserve, on adult cicada, Macrosemia sp., 12 Aug 2020, Y. Lin, T. Wang & M.J. Chen (GNJ20200812-01, RCEF 6696). Notes: — Metarhizium cicadae, M. chaiyaphumense and M. takense are morphologically close to this species. However, M. macrosemiae and M. cicadae parasitize adult cicadas while M. chaiyaphumense and M. takense infect cicada nymphs. In M. macrosemiae the phialides and conidia on OA and PDA are smaller than in M. cicadae. Furthermore, M. macrosemiae is distinguished from M. chaiyaphumense by its host, growth rate on SDAY/4 and PDA, and size of the phialides, while it differs significantly from M. takense in colony colour, growth rate on SDAY/4 and PDA, and the presence of macroconidia (Table 2)., Published as part of Chen, Ming-Jun, Lin, Yan, Wang, Ting, Zhang, Sheng-Li & Huang, Bo, 2022, Metarhizium macrosemiae sp. nov. and the anamorph of M. guniujiangense on adult cicada from Guniujiang Nature Preserve, southeastern China, pp. 68-78 in Phytotaxa 575 (1) on pages 73-74, DOI: 10.11646/phytotaxa.575.1.4, http://zenodo.org/record/7403302

Published
2022
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25. Metarhizium guniujiangense Kepler, S. A. Rehner & Humber

Author

Chen, Ming-Jun, Lin, Yan, Wang, Ting, Zhang, Sheng-Li, and Huang, Bo

Subjects
Clavicipitaceae, Metarhizium, Ascomycota, Sordariomycetes, Hypocreales, Fungi, Biodiversity, Metarhizium guniujiangense, Taxonomy
Abstract

Metarhizium guniujiangense (C.R. Li, B. Huang, M.Z. Fan & Z.Z. Li) Kepler, S.A. Rehner & Humber Fig. 3. Description:— Specimens found on adult cicada (Hemiptera: Cicadidae). Hosts covered by mycelium, pale green to greyish green, with heavy sporulation. Conidia smooth-walled, dimorphic; microconidia ovoid, ellipsoidal, 3.7–5.4 × 2.7–3.1 μm; macroconidia cylindrical, 13.0–16.0 × 3.3–4.0 μm. Cultural characteristics:— Colonies on SDAY/4 attaining a diam. of 39–43 mm in 14 d, mycelium floccose, cottony, pale yellow. Sporulation starts at 7 d after inoculation, reverse pale brown in center. Mycelium white, composed of branched, septate, smooth-walled, hyaline hyphae, 1.4–2.0 μm wide. Conidiophores arising from hyphae, smoothwalled. Phialides in a group of two to eight borne directly on metulae, smooth-walled, clavate, 5.0–6.5 × 2.0–2.5 μm. Conidia smooth-walled, dimorphic; microconidia formed first, ovoid, ellipsoidal, 4.2–5.7 × 2.0–3.0 μm; macroconidia formed later, cylindrical, 14.5–18.0 × 3.0–3.6 μm. Colonies on PDA attaining a diam. of 50–52 mm in 14 d, floccose, cream to green with age. Sporulation starts at 7 d after inoculation, reverse green in center. Mycelium white, composed of branched, septate, smooth-walled, hyaline hyphae, 1.6–2.3 μm wide. Conidiophores arising from hyphae, smooth-walled. Phialides in a group of two to eight borne directly on metulae, smooth-walled, cylindrical, 4.5–6.0 × 2.0–3.0 μm. Conidia smooth-walled, dimorphic; microconidia formed first, ovoid, ellipsoidal, 4.5–5.5 × 2.5–3.0 μm; macroconidia formed later, cylindrical, 15.0–17.0 × 2.5–3.5 μm. Colonies on OA attaining a diam. of 48–54 mm in 14 d, mycelium floccose, cottony, cream to olive green. Sporulation starts at 7 d after inoculation, reverse green in center. Mycelium white, composed of branched, septate, smooth-walled, hyaline hyphae, 1.5–2.0 μm wide. Conidiophores arising from hyphae, smooth-walled. Phialides in a group of two to eight borne directly on metulae, smooth-walled, cylindrical, 4.8–5.7 × 2.0–3.0 μm. Conidia smoothwalled, dimorphic; microconidia formed first, ovoid, ellipsoidal, 4.0–5.5(–7) × 2.4–3.1 μm; macroconidia formed later, cylindrical, 16.0–19.0(–22) × 3.2–4.0 μm. Specimens examined:— CHINA. Guniujiang Nature Preserve, Anhui, two adults of Pomponia (Hemiptera: Cicadidae) collected from upper side of leaf in forest, 14 Aug 2020, Y. Lin, T. Wang & M.J. Chen (GNJ20200814-48, RCEF 6758; GNJ20200814-21, RCEF 6740)., Published as part of Chen, Ming-Jun, Lin, Yan, Wang, Ting, Zhang, Sheng-Li & Huang, Bo, 2022, Metarhizium macrosemiae sp. nov. and the anamorph of M. guniujiangense on adult cicada from Guniujiang Nature Preserve, southeastern China, pp. 68-78 in Phytotaxa 575 (1) on pages 75-76, DOI: 10.11646/phytotaxa.575.1.4, http://zenodo.org/record/7403302

Published
2022
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26. A New Mining Algorithm of Association Rules and Applications

Author

Zhang, Sheng-Li, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Nierstrasz, Oscar, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Sudan, Madhu, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Vardi, Moshe Y., Series editor, Weikum, Gerhard, Series editor, Istrail, Sorin, editor, Pevzner, Pavel, editor, Waterman, Michael S., editor, Huang, De-Shuang, editor, Gan, Yong, editor, Premaratne, Prashan, editor, and Han, Kyungsook, editor

Published
2012
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27. 2D Zn‐Porphyrin‐Based Co(II)‐MOF with 2‐Methylimidazole Sitting Axially on the Paddle–Wheel Units: An Efficient Electrochemiluminescence Bioassay for SARS‐CoV‐2

Author

Li, Yi‐Xuan, primary, Li, Jing, additional, Zhu, Dunru, additional, Wang, Ju‐Zheng, additional, Shu, Guo‐Fang, additional, Li, Junji, additional, Zhang, Sheng‐Li, additional, Zhang, Xue‐Ji, additional, Cosnier, Serge, additional, Zeng, Hai‐Bo, additional, and Shan, Dan, additional

Published
2022
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32. Slow pyrolysis of biomass: effects of effective hydrogen-to-carbon atomic ratio of biomass and reaction atmospheres.

Author

Wang, Min, Zhang, Sheng-Li, and Duan, Pei-Gao

Subjects
*BIOMASS, *PYROLYSIS, *LIGNOCELLULOSE, *BIOMASS chemicals, *ALKANES, *PHENOLS, *LIGNIN structure, *HEMICELLULOSE
Abstract

In this study, slow pyrolysis of eight biomass feedstocks was examined at 350°C for 60 min. The effects of the biomass effective hydrogen-to-carbon atomic ratio (H/Ceff) and reaction atmosphere (N2, H2, CO2, and CH4) on the product yields and properties of the pyrolysis oil were studied. Basically, biomass with a higher H/Ceff ratio produced a higher pyrolysis oil yield and a lower solid yield, which varied between 4.66 and 45.57 wt.% and 22.10 and 54.17 wt.%, respectively. The pyrolysis oil yield is proportional to the protein+lipid content, while the solid yield is proportional to the cellulose +hemicellulose lignin content of the biomass feedstock. Lignin is the most difficult component of the biomass feedstock to convert. The effect of the reaction atmosphere on the pyrolysis product distribution depends on the biomass H/Ceff. The pyrolysis oil+gas yield decreased in the order H2> N2> CO2> CH4 with biomass H/Ceff ≤ 0.61, CH4> H2> CO2> N2 with biomass H/Ceff between 0.61 and 0.96, and N2> CO2> H2> CH4 with biomass H/Ceff ≥0.97. The gaseous products mainly consisted of CO2, CH4, CO, H2, C2H6, and C3H8, and CO2 always had the highest yield. All the pyrolysis oils had higher C and H content and lower O and S content compared with that of the biomass feedstock, and biomass with a higher H/Ceff ratio produced a pyrolysis oil with a higher H/Ceff ratio. Furthermore, biomass with a higher H/Ceff ratio produced a pyrolysis oil with a higher saturated hydrocarbon content, while biomass with a lower H/Ceff ratio produced a pyrolysis oil with a higher content of ketones and phenolic compounds. [ABSTRACT FROM AUTHOR]

Published
2023
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37. A New Method of Ambiguity Resolution for Triple-Frequency GPS PPP

Author

Lu Xiao-Feng, Zhang Sheng-Li, and Bao Ya-Chuan

Subjects
Information technology, T58.5-58.64
Abstract

At present, reliable ambiguity resolution in GPS precise point positioning (PPP) can be achieved through the traditional model called “EWL-WL-NL”. In this paper, we proposed a new model of ambiguity resolution,“WL-WL-WL”, where making use of linear independence of coefficient vector of wide-lane combination. Firstly, using the Melbourne-Wubbena combination observable on L2 and L5, we could resolve extra-wide-lane ambiguity instantaneously. Then, the resolved unambiguous extra-wide-lane carrier-phase assists wide-lane ambiguity resolution (AR). Three wide-lane combinations whose coefficient vectors are linearly independent are chosen to compose one full-rank matrix so that the three narrow-lane ambiguity resolution can be achieved. As a result, with the triple-frequency signals, the correctness rate of narrow-lane ambiguity resolution achieves 90% within 60s, in contrast to only 63% within 180s in dual-frequency PPP. Therefore, we demonstrate that triple-frequency PPP has the potential to achieve ambiguity-fixed solutions within a few minutes and the efficiency of ambiguity resolution in triple-frequency PPP is higher.

Published
2016
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38. Rapid Structure-Based Screening Informs Potential Agents for Coronavirus Disease (COVID-19) Outbreak* *Supported by the National Natural Science Foundation of China (Grant Nos. 11774279 and 11774280), the Fundamental Research Funds for the Central Universities of China (Grant Nos. xjj2017029 and xzy032020038), and the Natural Science Basic Research Plan in Shaanxi Province of China (Grant No. 2019JQ-603)

Author

Yang, Zhi-Wei, Zhao, Yi-Zhen, Zang, Yong-Jian, Wang, He, Zhu, Xun, Meng, Ling-Jie, Yuan, Xiao-Hui, Zhang, Lei, and Zhang, Sheng-Li

Subjects
Paper, 87.15.ap, 87.15.A, General, 87.15.B, 87.14.E
Abstract

Coronavirus Disease 2019 (COVID-19), caused by the novel coronavirus, has spread rapidly across China. Consequently, there is an urgent need to sort and develop novel agents for the prevention and treatment of viral infections. A rapid structure-based virtual screening is used for the evaluation of current commercial drugs, with structures of human angiotensin converting enzyme II (ACE2), and viral main protease, spike, envelope, membrane and nucleocapsid proteins. Our results reveal that the reported drugs Arbidol, Chloroquine and Remdesivir may hinder the entry and release of virions through the bindings with ACE2, spike and envelope proteins. Due to the similar binding patterns, NHC (β-d-N4-hydroxycytidine) and Triazavirin are also in prospects for clinical use. Main protease (3CLpro) is likely to be a feasible target of drug design. The screening results to target 3CL-pro reveal that Mitoguazone, Metformin, Biguanide Hydrochloride, Gallic acid, Caffeic acid, Sulfaguanidine and Acetylcysteine seem be possible inhibitors and have potential application in the clinical therapy of COVID-19.

Published
2020

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